Crystallography Open Database

Information card for entry 4344085

Preview

Coordinates	4344085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H88 F18 N6 O6 P9 Re3
Calculated formula	C114 H90 F18 N6 O6 P9 Re3
Title of publication	Trinuclear and Tetranuclear Re(I) Rings Connected with Phenylene, Vinylene, and Ethynylene Chains: Synthesis, Photophysics, and Redox Properties.
Authors of publication	Rohacova, Jana; Sekine, Akiko; Kawano, Tsubasa; Tamari, Sho; Ishitani, Osamu
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8769 - 8777
a	29.0902 ± 0.0005 Å
b	29.0902 ± 0.0005 Å
c	14.1738 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	10387.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2252
Weighted residual factors for all reflections included in the refinement	0.2371
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
160517 (current)	2015-10-06	cif/ Updating files of 4344084, 4344085, 4344086, 4344087 Original log message: Adding full bibliography for 4344084--4344087.cif.	4344085.cif
153578	2015-08-22	cif/ Adding structures of 4344084, 4344085, 4344086, 4344087 via cif-deposit CGI script.	4344085.cif